[gmx-developers] Force Field validation

[Alexey Shvetsov]

Hi all!

Are there some common GROMACS workflow to validate forcefields and/or 
forcefields additions like glycam?

I have converted GLYCAM forcefield to gromacs format. However it has large 
number of building blocks (~2.5k). GROMACS should have case sensetive building 
block names to deal with it
-- 
Best Regards,
Alexey 'Alexxy' Shvetsov, PhD
Department of Molecular and Radiation Biophysics
FSBI Petersburg Nuclear Physics Institute, NRC Kurchatov Institute,
Leningrad region, Gatchina, Russia
mailto:alexxyum at gmail.com
mailto:alexxy at omrb.pnpi.spb.ru
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